How to use Yambo:advanced usage

Production example

CECAM students: Skip this and return to the First steps tutorial.

Here is an example of how to combine several command line options. Starting from the usual folder containing the SAVE, do

$ mkdir TEST
$ cd TEST
$ yambo -F yambo.in_IP -I ../ -C q100 -J 3Ry -V RL -o c      and change to
FFTGvecs= 3            Ry    # [FFT] Plane-waves
$ yambo -F yambo.in_IP -I ../ -C q100 -J 3Ry -V RL 

You will notice

<---> [WF] Performing Wave-Functions I/O from ..//SAVE
<---> Dipoles: P and iR (T): |########################################| [100%] --(E) --(X)

with the ndb.dip_iR_and_P databases written in 3Ry, and output files inside the folder q100. Now select a different q-component and run again:

$ yambo -F yambo.in_IP -I ../ -C q001 -J 3Ry -V RL -o c      and change to
% LongDrXd
0.000000 | 0.000000 | 1.000000 |        # [Xd] [cc] Electric Field
%
$ yambo -F yambo.in_IP -I ../ -C q001 -J 3Ry -V RL 

For this run, yambo reads the database from the 3Ry folder, does a quick calculation, and writes the outputs inside q001.

The overall result is very neatly organised. Remember to check the report file to verify which databases are being WR = written to and RD = read from. Of course, it is up to the user to decide which options they like best.